Theoretical isothermal equation of state of rhenium

Sikka, S. K. ; Vijayakumar, V. (1988) Theoretical isothermal equation of state of rhenium Physical Review B: Condensed Matter and Materials Physics, 38 (15). pp. 10926-10928. ISSN 1098-0121

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A first-principles computation of the zero-degree isotherm has been carried out for Re, employing a linear muffin-tin orbital electron-band theory technique. This computed isotherm departs significantly from the isotherm derived from shock-wave data, but is in reasonable agreement with those from empirical equations of states based on zero-pressure parameters. Consequently, it is suggested that the 200-250-GPa pressures achieved by Vohra, Duclos, and Ruoff in recent diamond-anvil-cell experiments are underestimated by about half a megabar.

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